SCHEMBL9925374

SCHEMBL9925374

CC[C@H](C)COC(=O)CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TRPA1 O75762 1/20 0.54
MAPT P10636 2/20 0.44
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FAAH O00519 4/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ELANE P08246 1/20 0.33
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
KDM4E B2RXH2 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21811674 0.83 ALDH1A1 (0.45) ALDH1A1TRPA1MAPTCYP2C19L3MBTL1
SCHEMBL9239313 0.82 MGAM (0.50) ALDH1A1MAPTCYP3A4TSHRATM
SCHEMBL5859548 0.82 MGAM (0.50) ALDH1A1MAPTCYP3A4TSHRATM
SCHEMBL14672451 0.82 MAPT (0.47) ALDH1A1MAPTCYP3A4TSHRATM
SCHEMBL2854978 0.82 MAPT (0.47) ALDH1A1MAPTCYP2C19CYP3A4TSHR
SCHEMBL30320231 0.82 MAPT (0.47) ALDH1A1MAPTCYP2C19CYP3A4TSHR
SCHEMBL537525 0.79
SCHEMBL9925375 0.78 MAPT (0.44) ALDH1A1MAPTL3MBTL1CYP3A4TSHR
SCHEMBL9925376 0.78 MAPT (0.44) ALDH1A1MAPTCYP3A4TSHRATM
SCHEMBL491526 0.78 MAPT (0.53) ALDH1A1MAPTCYP3A4TSHRATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754067-B2 22-haloacetoxy-homopregnacalciferol analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-17 US disclosed
US-8754067-B2 22-haloacetoxy-homopregnacalciferol analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-17 US disclosed
US-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-14 US disclosed
US-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses CYP27B1, CYP27A1, MCL1 ALDH1A1 769/4885TRPA1 3372/4885MAPT 4346/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.